SCHEMBL19477907

SCHEMBL19477907

CCCNC(=O)[C@H](Cc1ccc(O)cc1)NC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 6/20 0.54
▸ CHRNA1 P02708 2/20 0.54
▸ CHRNG P07510 2/20 0.54
▸ CHRNB1 P11230 2/20 0.54
▸ GRIA1 P42261 7/20 0.52
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ GRIN1 Q05586 1/20 0.51
▸ GRIN2A Q12879 1/20 0.51
▸ GRM1 Q13255 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19477908 0.91 CHRND (0.61) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL19477879 0.88 CYP3A4 (0.50) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL23154816 0.86 L3MBTL1 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23154665 0.86 L3MBTL1 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23154817 0.86 L3MBTL1 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22461945 0.84 CHRND (0.47) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL15359366 0.84 GRIA1 (0.46) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL16846635 0.82 GRIA1 (0.46) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL8022821 0.82 MMP1 (0.51) —
SCHEMBL7029376 0.82 MMP1 (0.51) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017177326-A1 TARGETED NUCLEIC ACID CONJUGATE COMPOSITIONS PROTIVA BIOTHERAPEUTICS, INC. (CA) 2017-10-19 — — WO disclosed
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